Publications

CSC research acknowledged in publications and presentations.

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Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 2308708) at UC Santa Barbara.

Selected Publications

2014

Regional White Matter Variation Associated with Domain-specific Metacognitive Accuracy
Baird, B., Cieslak, M., Smallwood, J., Grafton, S. T., & Schooler, J. W. (2014). Regional White Matter Variation Associated with Domain-specific Metacognitive Accuracy.
Salting out the polar polymorph: Analysis by alchemical solvent transformation
Duff, N., Dahal, Y. R., Schmit, J. D., & Peters, B. (2014). Salting out the polar polymorph: Analysis by alchemical solvent transformation. Journal Of Chemical Physics, 140, 014501. https://doi.org/10.1063/1.4853775 (Original work published 01/2014 C.E.)
Self-consistent field theory investigation of directed self-assembly in cylindrical confinement
Laachi, N., Delaney, K. T., Kim, B., Hur, S. -M., Bristol, R., Shykind, D., et al. (2014). Self-consistent field theory investigation of directed self-assembly in cylindrical confinement. Journal Of Polymer Science Part B: Polymer Physics.
Shear-Dominated Plastic Behavior of a Cross-ply Dyneema\textregistered Composite
Nazarian, O., & Zok, F. W. (2014). Shear-Dominated Plastic Behavior of a Cross-ply Dyneema\textregistered Composite. Composites Part A: Applied Science And Manufacturing.
Silicon carbide photonic crystal cavities with integrated color centers
Calusine, G., Politi, A., & Awschalom, D. D. (2014). Silicon carbide photonic crystal cavities with integrated color centers. Applied Physics Letters, 105, -. https://doi.org/http://dx.doi.org/10.1063/1.4890083
Simulating Articulated Subspace Self-Contact
Teng, Y., Otaduy, M. A., Madrid, U. R. J. C., & Kim, T. (2014). Simulating Articulated Subspace Self-Contact. Siggraph 2014. Retrieved de http://www.mat.ucsb.edu/~kim/SASS/TengOtaduyKim2014.pdf http://youtu.be/mjT9ZfIYN-s
Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models
Morriss-Andrews, A., & Shea, J. -E. (2014). Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal Of Physical Chemistry Letters.
Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties
Zheng, Y., Miao, M. -S., Zhang, Y., Nguyen, T. -Q., & Wudl, F. (2014). Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal Of The American Chemical Society.
Structure and energetics of LaAlO 3 (001) surfaces
Krishnaswamy, K., Dreyer, C. E., Janotti, A., & Van de Walle, C. G. (2014). Structure and energetics of LaAlO 3 (001) surfaces. Physical Review B, 90, 235436.
Thermodynamic and kinetic aspects of defectivity in directed self-assembly of cylinder-forming diblock copolymers in laterally confining thin channels
Kim, B. J., Laachi, N., Delaney, K. T., Carilli, M. F., Kramer, E. J., & Fredrickson, G. H. (2014). Thermodynamic and kinetic aspects of defectivity in directed self-assembly of cylinder-forming diblock copolymers in laterally confining thin channels. Journal Of Applied Polymer Science, 131, 40790. https://doi.org/10.1002/app.40790 (Original work published 12/2014 C.E.)
The Time Dependent Propensity Function for Acceleration of Spatial Stochastic Simulation of Reaction-Diffusion Systems
Fu, J., Wu, S., Li, H., & Petzold, L. R. (2014). The Time Dependent Propensity Function for Acceleration of Spatial Stochastic Simulation of Reaction-Diffusion Systems. Journal Of Computational Physics.
Topological Phase Transition in the Hofstadter-Hubbard Model
Wang, L., Hung, H. -H., & Troyer, M. (2014). Topological Phase Transition in the Hofstadter-Hubbard Model. Arxiv Preprint Arxiv:1402.6704.
Towards Virtual Testing of Textile Composites: Calibration of Thermoelastic Tow Properties
Shaw, J. H., Rajan, V. P., Blacklock, M., & Zok, F. W. (2014). Towards Virtual Testing of Textile Composites: Calibration of Thermoelastic Tow Properties. Journal Of The American Ceramic Society, 97, 1209\textendash1217.
Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation
Mullen, R. G., Shea, J. -E., & Peters, B. (2014). Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal Of Chemical Theory And Computation.
Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain
Sun, K., Chiu, C. -K., Hung, H. -H., & Wu, J. (2014). Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain. Phys. Rev. B, 89, 104519. https://doi.org/10.1103/PhysRevB.89.104519 (Original work published Mar)
Turning SrTiO 3 into a Mott insulator
Bjaalie, L., Janotti, A., Himmetoglu, B., & Van de Walle, C. G. (2014). Turning SrTiO 3 into a Mott insulator. Physical Review B, 90, 195117.
Uncertainty, self-selection and the design of subsidies: Evidence from Zambia
Bell, S., Jack, K., Oliva, P., Severen, C., & Walker, E. (2014). Uncertainty, self-selection and the design of subsidies: Evidence from Zambia.
Using phylogenetically-informed annotation (PIA) to search for light-interacting genes in transcriptomes from non-model organisms
Speiser, D. I., Pankey, S., Zaharoff, A. K., Battelle, B. A., Bracken-Grissom, H. D., Breinholt, J. W., et al. (2014). Using phylogenetically-informed annotation (PIA) to search for light-interacting genes in transcriptomes from non-model organisms. Bmc Bioinformatics, 15, 350.
Vacancies and small polarons in SrTiO 3
Janotti, A., Varley, J. B., Choi, M., & Van de Walle, C. G. (2014). Vacancies and small polarons in SrTiO 3. Physical Review B, 90, 085202.

2013

[3, 3]-Sigmatropic Rearrangement versus Carbene Formation in Gold-Catalyzed Transformations of Alkynyl Aryl Sulfoxides: Mechanistic Studies and Expanded Reaction Scope
Lu, B., Li, Y., Wang, Y., Aue, D. H., Luo, Y., & Zhang, L. (2013). [3, 3]-Sigmatropic Rearrangement versus Carbene Formation in Gold-Catalyzed Transformations of Alkynyl Aryl Sulfoxides: Mechanistic Studies and Expanded Reaction Scope. Journal Of The American Chemical Society, 135, 8512\textendash8524.